1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene

C13H15Cl2FO — CID 116691092

IUPAC1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
SMILESCCC1(C)C(Cl)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H15Cl2FO/c1-3-13(2)10(15)7-11(13)17-9-6-4-5-8(14)12(9)16/h4-6,10-11H,3,7H2,1-2H3
InChIKeyUTXKSLJXQHLALH-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.65
Rot. Bonds3

About 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene

1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene (PubChem CID 116691092) has the molecular formula C13H15Cl2FO and a molecular weight of 277.17 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
PubChem CID116691092
Molecular FormulaC13H15Cl2FO
Molecular Weight277.17 g/mol
Exact Mass276.05
IUPAC Name1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene
SMILESCCC1(C)C(Cl)CC1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H15Cl2FO/c1-3-13(2)10(15)7-11(13)17-9-6-4-5-8(14)12(9)16/h4-6,10-11H,3,7H2,1-2H3
InChIKeyUTXKSLJXQHLALH-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2,2-dimethylcyclobutyl)oxy-2-fluoro-3-methylbenzene
CID 107662299
2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
CID 66345947
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
CID 66345737
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
CID 83053697
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
2-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-1-nitrobenzene
CID 66343707
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
1-(3-bromo-2-methoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 116691082

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene?
The IUPAC name of 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene (CID 116691092) is 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene is CCC1(C)C(Cl)CC1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene?
The InChIKey is UTXKSLJXQHLALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FO/c1-3-13(2)10(15)7-11(13)17-9-6-4-5-8(14)12(9)16/h4-6,10-11H,3,7H2,1-2H3.
What are the key properties of 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene?
1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene has a molecular weight of 277.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-fluorobenzene is sourced from PubChem (CID 116691092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).